5-chloranyl-2-ethylsulfonyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfonyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfonyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-ethylsulfonyl-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfonyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-esyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrimidine-4-carboxamide Formula: C22H22ClN5O4S2 MolecularWeight: 520.02418

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5O4S2/c1-2-34(31,32)22-26-12-15(23)18(27-22)20(30)28-21-17(14-7-3-4-8-16(14)33-21)19(29)25-11-13-6-5-9-24-10-13/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,25,29)(H,28,30)